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The molecular bonding in the excited states of the alkali dimers involves the resonant ionic, covalent bond and steric interactions. We show here the case of the 1Σu+ states of… Click to show full abstract
The molecular bonding in the excited states of the alkali dimers involves the resonant ionic, covalent bond and steric interactions. We show here the case of the 1Σu+ states of Li2 by ab initio calculation. These interactions as functions of the internuclear distance lead to complex potential energy curves, providing an important application for high resolution laser spectroscopy. The spectroscopic constants for the 4 and 5 1Σu+ states are obtained for the first time.
Keywords:
resonant ionic;
covalent bond;
bond steric;
ionic covalent;
states li2
Journal Title: Molecules
Year Published: 2022
Link to full text (if available)
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Journal Title: Molecules
Year Published: 2022
Link to full text (if available)
Share on Social Media: Sign Up to like & get
recommendations!